Crystallography Open Database

Information card for entry 7712836

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Coordinates	7712836.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6
Formula	C30 H70 Fe Si10
Calculated formula	C30 H70 Fe Si10
Title of publication	Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes
Authors of publication	Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.9543 ± 0.0006 Å
b	13.4426 ± 0.0007 Å
c	13.3587 ± 0.0006 Å
α	90°
β	93.029 ± 0.002°
γ	90°
Cell volume	2143.7 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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